Ethyl 2-(4-phenoxyphenoxy)ethylcarbamate

This chemical is called Fenoxycarb, and its systematic name is ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate. With the molecular formula of C₁₇H₁₉NO₄, its CAS registry number of this chemical is 72490-01-8. Additionally, its product category is Insecticide. It has a low toxicity for bees, birds, and humans, but is toxic to fish. The Fenoxycarb should be sealed in the container, away from the oxides.

Other characteristics of the Fenoxycarb can be summarised as followings: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 477.45; (6)ACD/BCF (pH 7.4): 477.45; (7)ACD/KOC (pH 5.5): 2878.61; (8)ACD/KOC (pH 7.4): 2878.56; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 83.27 cm³; (15)Molar Volume: 262.3 cm³; (16)Polarizability: 33.01×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.148 g/cm³; (19)Flash Point: 230.2 °C; (20)Enthalpy of Vaporization: 71.71 kJ/mol; (21)Boiling Point: 457.1 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-08 mmHg at 25°C.

Production method of this chemical:

Uses of this chemical: The Fenoxycarb could react with 6-bromo-hexanoic acid ethyl ester, and obtain the 6-{ethoxycarbonyl-[2-(4-phenoxy-phenoxy)-ethyl]-amino}-hexanoic acid ethyl ester. This reaction needs the reagent of NaH, and the solvent of dimethylformamide. The yield is 84 %.

When you are using this chemical, please be cautious about it as the following: This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. its container must be disposed of as hazardous waste. Avoid releasing it to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2
2.InChI: InChI=1/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
3.InChIKey: HJUFTIJOISQSKQ-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 5gm/kg (5000mg/kg)		Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 16, Pg. 709, 1991.
rat	LC50	inhalation	> 480mg/m3 (480mg/m3)		Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 16, Pg. 709, 1991.
rat	LD50	oral	16800mg/kg (16800mg/kg)		Farm Chemicals Handbook. Vol. -, Pg. C137, 1991.
rat	LD50	skin	> 2gm/kg (2000mg/kg)		Defense des Vegetaux. Vol. 39(236), Pg. 26, 1985.